Upload XAS Spectra to the X-ray Absorption Data Library:
You must be logged in to upload data.
Notes on Uploading Files:
Somewhere in the columns of the Data Table there Must be columns for
- Uploaded files must be ASCII files no larger than 16Mb with a
Header Section followed by a Data Table Section.
- The Header Section contains strings that describe the
meta-data for the data file. Ideally, these will follow the
XAS Data Interchange Specification.
Example Data Files for this library.
- The Data Table Section contains columns for indvidual arrays.
Columns should be separated or delimited by a combination of
spaces, tabs, or commas. Each line of the file (ending with a Newline
and optional Carriage Return character) corresponds to one row of the
Data Table, representing a different energy point for the data. Up to
32 columns will be accessible.
Names for the columns will be automatically deduced from the data file.
These names these may not be perfectly aligned with what you expect the
column labels to be. Still, when uploading data, you will be expected to be
able to deduce which columns are appropriate and what the column name.
During the Verification process, you will be shown plots of the resulting
mu vs Energy.
- Energy or Monochromator Angle, in units of eV, keV, or degrees.
- Arrays that can be used to build \(\mu(E)\) or mu(Energy).
These arrays will be columns in the Data Table that may represent
of I_0, I_transmission, I_fluorescence, or
mu_transmission, mu_fluorescence. Note that it is
OK to have emission modes other than fluorescence -- they will be
treated in the same way as fluorescence data.
You will be expected to fill in values for some meta-data including:
Some of this meta-data may be guessed from the file headers. In additions,
some validity and error checking will be done on these values. Ultimately,
the quality of the data relies on you verifying the correctness of these
- Sample Name
- Absorbing Element and Edge
- Monochromator d-spacing or nominal reflecting cut
- Energy units
- Measurement Mode
Some additional notes:
Finally, because uploading files uses finite computing resources, we
reserve the right to restrict or remove any data for any reason without
notice and to ban users who abuse the ability to upload data.
- The data will be sorted so that Energy is strictly increasing.
A warning will be given if any of the steps in energy value is less
than 0.001 eV, as this may cause problems for some processing software.
- Ideally, there will be a separate column of I_0, but this is
- You can include data for a reference channel, either
I_reference, or mu_referencee. Note that the reference
channel can either be in one of three modes:
- Transmission, with reference sample downstream of
I_transmission, so that
mu_reference = -log(I_reference/I_transmission)
- Fluorescence, with reference upstream of sample, so that
mu_reference = (I_reference/I_0)
- Fluorescence, with reference downstream of sample, so that
mu_reference = (I_reference/I_transmission)